2-(2-methyltetradecan-3-yl)phenol

C21H36O — CID 66867142

IUPAC2-(2-methyltetradecan-3-yl)phenol
SMILESCCCCCCCCCCCC(c1ccccc1O)C(C)C
InChIInChI=1S/C21H36O/c1-4-5-6-7-8-9-10-11-12-15-19(18(2)3)20-16-13-14-17-21(20)22/h13-14,16-19,22H,4-12,15H2,1-3H3
InChIKeyHEUDSHMJHLNFLX-UHFFFAOYSA-N
MW304.52 g/mol
LogP7.05
Rot. Bonds12

About 2-(2-methyltetradecan-3-yl)phenol

2-(2-methyltetradecan-3-yl)phenol (PubChem CID 66867142) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 2-(2-methyltetradecan-3-yl)phenol.

Molecular Properties

Compound Name2-(2-methyltetradecan-3-yl)phenol
PubChem CID66867142
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name2-(2-methyltetradecan-3-yl)phenol
SMILESCCCCCCCCCCCC(c1ccccc1O)C(C)C
InChIInChI=1S/C21H36O/c1-4-5-6-7-8-9-10-11-12-15-19(18(2)3)20-16-13-14-17-21(20)22/h13-14,16-19,22H,4-12,15H2,1-3H3
InChIKeyHEUDSHMJHLNFLX-UHFFFAOYSA-N
XLogP7.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyldodecan-5-yl)phenol
CID 66867527
2-(9-heptylhenicosan-10-yl)phenol
CID 66867451
2-(10-octyldocosan-11-yl)phenol
CID 66866246
2-(8-ethyloctadecan-9-yl)phenol
CID 66884057
2-(9-ethylnonadecan-10-yl)phenol
CID 66866219
2-(6-propylpentadecan-7-yl)phenol
CID 66865581
2-(4-propyldecan-5-yl)phenol
CID 66866099
2-pentadecan-6-ylphenol
CID 66865451
2-(4-ethyldecan-5-yl)phenol
CID 66865491
2-(4-propylnonan-5-yl)phenol
CID 66866241
2-tetradecan-3-ylphenol
CID 66866793
2-dodecan-3-ylphenol
CID 12820018

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetradecan-3-yl)phenol?
The IUPAC name of 2-(2-methyltetradecan-3-yl)phenol (CID 66867142) is 2-(2-methyltetradecan-3-yl)phenol.
What is the SMILES notation for 2-(2-methyltetradecan-3-yl)phenol?
The canonical SMILES for 2-(2-methyltetradecan-3-yl)phenol is CCCCCCCCCCCC(c1ccccc1O)C(C)C.
What is the InChIKey of 2-(2-methyltetradecan-3-yl)phenol?
The InChIKey is HEUDSHMJHLNFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-4-5-6-7-8-9-10-11-12-15-19(18(2)3)20-16-13-14-17-21(20)22/h13-14,16-19,22H,4-12,15H2,1-3H3.
What are the key properties of 2-(2-methyltetradecan-3-yl)phenol?
2-(2-methyltetradecan-3-yl)phenol has a molecular weight of 304.52 g/mol, XLogP of 7.05, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetradecan-3-yl)phenol is sourced from PubChem (CID 66867142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).